Directed Templating and Synthesis of Low-Density Molecular Crystal Frameworks

9908343 Ward这个项目题为直接模板和低密度分子晶体框架的合成将探索基于晶体包合物的材料设计。 主要目标包括通过以下方式设计和合成由拓扑互补的胍鎓（G）阳离子和各种有机二磺酸盐的磺酸盐（S）部分构建的主体框架：（i）使用多样化的有机二磺酸盐柱库来产生新的胍鎓有机二磺酸盐“多孔”主体框架;（ii）使用所述库来引出控制主体-客体组装和客体排序的分子识别因子;（iii）合成具有不同官能度和形状的基于有机二磺酸根柱的GS包合物;（iv）研究GS结构在引导客体有序化中的作用;（v）合成扩展的“多组分柱”，其中从相对GS片突出的两个单磺酸根通过特定的相互作用（如氢键或金属络合）偶联;（vi）合成多组分骨架，其中单磺酸盐和二磺酸盐GS带状“模块”联合收割机组合以形成独特的多孔骨架;（六）探索这些模块化材料的固有多功能性，以创建可用于功能材料合成的主体框架库和结晶为基础的分离协议;（viii）扩展这些概念，拓扑结构相似的同系物，取代有机膦酸酯和胍离子与其他阳离子具有三重对称性的有机磺酸盐。 其目的是能够产生用于化学选择性和对映选择性分离的潜在应用的功能材料，以及具有独特晶格结构的材料，这些材料可能导致新的光电和磁性。

9908343WardThis project entitled Direct Templating and Synthesis of Low-Density Molecular Crystal Frameworks will explore materials design based on crystalline clathrates. The principal goals include the design and synthesis of host frameworks constructed from topologically complementary guanidinium (G) cations and sulfonate (S) moieties of various organodisulfonates by (i) using a diversified library of organodisulfonate pillars to generate new guanidinium organodisulfonate "porous" host frameworks; (ii) using the library to elicidiate molecular recognition factors that govern host-guest assembly and guest ordering; (iii) synthesizing GS clathrates based on organodisulfonate pillars equipped with various functionalities and shape; (iv) investigating the role of GS architectures in directing guest ordering; (v) synthesizing extended "multicomponent pillars" in which two monosulfonates projecting from opposing GS sheets are coupledby specific interactions such as hydrogen bonding or metal complexation; (vi) synthesizing multicomponent frameworks in which monosulfonate and disulfonate GS ribbon "modules" combine to form unique porous frameworks; (vi) exploring the inherent versatility of these modular materials to create a library of host frameworks that can be used for the synthesis of functionals materials and for crystallization-based separations protocols; (viii) extending these concepts to topologically similar structural homologs that replace organosulfonates with organophosphonates and guanidinium ions with other cations that have threefold symmetry.This project will advance the understanding of molecular recognition processes governing the assembly of low-density host frameworks and the inclusion of guest molecules. The aim is to be able to generate functional materials for potential applications in chemically selective and enatioselective separations, as well as materials with unique lattice architectures that may lead to novel optoelectronic and magnetic properties.